| Предварительный просмотр | Дата выпуска | Заглавие | Автор(ы) |
| 2012 | Nonempiric Anharmonic Computations of IR Spectra of Ethanol Conformers in B3LYP/сс-pVQZ Approximation (Stretch С-Н Vibrations) | Pitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. E.; Shablinskas, V.; Balevichus, V.; Kozlovskaya, E. N. |
| 2012 | Спектрально-структурные характеристики наноразмерных кластеров трет-бутилового спирта в аргоновой матрице | Дорошенко, И. Ю.; Пицевич, Г. А.; Погорелов, В. Е. |
| 2013 | A DFT study of the structure and vibrational IR spectra of the UO2Cl2•2HMPA and UCl4•2HMPA complexes | Shundalau, M.B.; Komiak, A.I.; Zajogin, A.P.; Umreiko, D.S. |
| 2013 | Influence of Fluorination on UV Spectra of Polyurethane Structural Fragments | Ksenofontov, M. A.; Ponarjadov, V. V.; Umreiko, D. S.; Shundalau, M. B.; Bobkova, E. J. |
| 2013 | Modeling Ir Spectra of Uranium Monoxide Clusters | Shundalau, M. B.; Umreiko, D. S.; Zazhogin, A. P.; Komyak, A. I. |
| 2013 | Vibrational analysis of hydroxyl group in the pyridine n-oxide/trichloroacetic acid complex using the anharmanic approximation and computations of 1D and 2D potential surfaces | Pitsevich, G. A.; Sablinskas, V.; Malevich, A. E.; Doroshenko, I. U.; Pogorelov, V. E.; Balevicius, V. |
| 2013 | Structure and vibrational spectra of gauche- and trans-conformers of ethanol: Nonempirical anharmonic calculations and FTIR spectra in argon matrices | Pitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. Ye.; Sablinskas, V.; Balevicius, V. |
| 2014 | Structure and Vibrational Spectra of Uranyl Dinitrate Complexes with Water and DMSO | Shundalau, M. B.; Zazhogin, A. A.; Zazhogin, A. P.; Komyak, A. I.; Umreiko, D. S. |
| 2014 | Quantum Chemical Analysis of Uranium Trioxide Conformers | Shundalau, M. B.; Umreiko, D. S. |
| 2014 | Anharmonic calculations and 3D PES study of the O-H group vibrations in the methanol dimer | Pitsevich, G. A.; Malevich, A. E.; Kozlovskaya, E. N.; Sapeshko, U. U. |
| 2014 | FTIR/PCA study of propanol in argon matrix: the initial stage of clustering and conformational transitions | Doroshenko, Iryna; Balevicius, Vytautas; Pitsevich, George; Aidas, Kestutis; Sablinskas, Valdas; Pogorelov, Valeriy |
| окт-2014 | Колебательная спектроскопия N′-(адамантан-2-илиден) бензогидразида | Гапоненко, С. В.; Глинистый, А. В.; Шабуня-Клячковская, Е. В.; Шундалов, М. Б. |
| 2015 | Photosensitive Polymers for Liquid Crystal Alignment | Mahilny, U.V.; Stankevich, A.I.; Trofimova, A.V.; Muravsky, A.A.; Murauski, A.A. |
| 2016 | Structure of N′-(adamantan-2-ylidene)benzohydrazide, a potential antibacterial agent, in solution: Molecular dynamics simulations, quantum chemical calculations and Ultraviolet–visible spectroscopy studies | Andrianov, A.M.; Kashyn, I.A.; Andrianov, V.M.; Shundalau, M.B.; Hlinisty, A.V.; Gaponenko, S.V.; Shabunya-Klyachkovskaya, E.V.; Matsukovich, A.; Al-Tamimi, A.-M.S.; El-Emam, A.A. |
| 2016 | Combinatorial Broadening Mechanism of O–H Stretching Bands in H-Bonded Molecular Clusters | Pitsevich, G. A.; Doroshenko, I. Yu.; Pogorelov, V. E.; Pettersson, L. G. M.; Sablinskas, V.; Sapeshko, V. V.; Balevicius, V. |
| 2016 | Determination of the optimal energy denominator shift parameter of KRb electronic states in quantum chemical computations using perturbation theory | Shundalau, M. B.; Minko, A. A. |
| 2016 | Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule | Shundalau, M. B.; Pitsevich, G. A.; Malevich, A. E.; Hlinisty, A. V.; Minko, A. A.; Ferber, R.; Tamanis, M. |
| 2016 | Structure of N' -(adamantan-2-ylidene)benzohydrazide, a potential antibacterial agent, in solution: Molecular dynamics simulations, quantum chemical calculations and Ultraviolet–visible spectroscopy studies | Andrianov, Alexander M.; Kashyn, Ivan A.; Andrianov, Viktor M.; Shundalau, Maksim B.; Hlinisty, Anton V.; Gaponenko, Sergey V.; Shabunya-Klyachkovskaya, Elena V.; Matsukovich, Anna; Al-Tamimi, Abdul-Malek S.; El-Emam, Ali A. |
| 2016 | Увеличение азимутальной энергии сцепления градиентного сополимера добавками планарного полимерного ориентанта | Безрученко, В. С.; Муравский, Ал. А.; Муравский, А. А.; Станкевич, А. И.; Могильный, В. В. |
| 2016 | Raman, infrared and DFT studies of N' -(adamantan-2-ylidene) benzohydrazide, a potential antibacterial agent | Shundalau, Maksim B.; Al-Abdullah, Ebtehal S.; Shabunya-Klyachkovskaya, Elena V.; Hlinisty, Anton V.; Al-Deeb, Omar A.; El-Emam, Ali A.; Gaponenko, Sergey V. |
